(2S)-2-amino-3-(2-oxopropanoyloxy)propanoic acid

C6H9NO5 — CID 54396107

IUPAC(2S)-2-amino-3-(2-oxopropanoyloxy)propanoic acid
SMILESCC(=O)C(=O)OC[C@H](N)C(=O)O
InChIInChI=1S/C6H9NO5/c1-3(8)6(11)12-2-4(7)5(9)10/h4H,2,7H2,1H3,(H,9,10)/t4-/m0/s1
InChIKeyVKBDCKRYNAZJMZ-BYPYZUCNSA-N
MW175.14 g/mol
LogP-1.47
Rot. Bonds4

About (2S)-2-amino-3-(2-oxopropanoyloxy)propanoic acid

(2S)-2-amino-3-(2-oxopropanoyloxy)propanoic acid (PubChem CID 54396107) has the molecular formula C6H9NO5 and a molecular weight of 175.14 g/mol. Its IUPAC name is (2S)-2-amino-3-(2-oxopropanoyloxy)propanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-(2-oxopropanoyloxy)propanoic acid
PubChem CID54396107
Molecular FormulaC6H9NO5
Molecular Weight175.14 g/mol
Exact Mass175.05
IUPAC Name(2S)-2-amino-3-(2-oxopropanoyloxy)propanoic acid
SMILESCC(=O)C(=O)OC[C@H](N)C(=O)O
InChIInChI=1S/C6H9NO5/c1-3(8)6(11)12-2-4(7)5(9)10/h4H,2,7H2,1H3,(H,9,10)/t4-/m0/s1
InChIKeyVKBDCKRYNAZJMZ-BYPYZUCNSA-N
XLogP-1.47
TPSA106.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.14
LogP ≤ 5-1.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(2-oxopropanoyloxy)propanoic acid?
The IUPAC name of (2S)-2-amino-3-(2-oxopropanoyloxy)propanoic acid (CID 54396107) is (2S)-2-amino-3-(2-oxopropanoyloxy)propanoic acid.
What is the SMILES notation for (2S)-2-amino-3-(2-oxopropanoyloxy)propanoic acid?
The canonical SMILES for (2S)-2-amino-3-(2-oxopropanoyloxy)propanoic acid is CC(=O)C(=O)OC[C@H](N)C(=O)O.
What is the InChIKey of (2S)-2-amino-3-(2-oxopropanoyloxy)propanoic acid?
The InChIKey is VKBDCKRYNAZJMZ-BYPYZUCNSA-N. The full InChI is InChI=1S/C6H9NO5/c1-3(8)6(11)12-2-4(7)5(9)10/h4H,2,7H2,1H3,(H,9,10)/t4-/m0/s1.
What are the key properties of (2S)-2-amino-3-(2-oxopropanoyloxy)propanoic acid?
(2S)-2-amino-3-(2-oxopropanoyloxy)propanoic acid has a molecular weight of 175.14 g/mol, XLogP of -1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(2-oxopropanoyloxy)propanoic acid is sourced from PubChem (CID 54396107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).